Information card for entry 8100789

Structure parameters

• Formula: C18 H26 O5
• Calculated formula: C18 H26 O5
• SMILES: O1C([C@@H](C=C1C)[C@@H]1C(=CCCC1(C)C)C)(C(=O)OC)C(=O)OC.O1C([C@H](C=C1C)[C@H]1C(=CCCC1(C)C)C)(C(=O)OC)C(=O)OC
• Title of publication: Crystal structure of 3R(S)-1'S(R)-2,2-dimethoxycarbonyl-3-(2',6',6'- trimethyl-2'-cyclohexen-1'-yl)-2,3-dihydrofuran, C~18~H~26~O~5~
• Authors of publication: Daut-Ozdemir, Ayse; Anac, Olcay; Borrmann, Horst; Somer, Mehmet
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 607 - 608
• a: 8.6823 ± 0.0007 Å
• b: 9.7285 ± 0.0007 Å
• c: 10.6426 ± 0.0008 Å
• α: 80.779 ± 0.006°
• β: 89.142 ± 0.007°
• γ: 80.3 ± 0.007°
• Cell volume: 874.57 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No